{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.864224 0.380234 0.396013 ] [ 0.364224 0.119766 0.603987 ] [ 0.135776 0.880234 0.103987 ] [ 0.119766 0.603987 0.364224 ] [ 0.103987 0.135776 0.880234 ] [ 0.603987 0.364224 0.119766 ] [ 0.380234 0.396013 0.864224 ] [ 0.396013 0.864224 0.380234 ] [ 0.880234 0.103987 0.135776 ] [ 0.619766 0.896013 0.635776 ] [ 0.896013 0.635776 0.619766 ] [ 0.635776 0.619766 0.896013 ] [ 0.135776 0.619766 0.603987 ] [ 0.635776 0.880234 0.396013 ] [ 0.864224 0.119766 0.896013 ] [ 0.880234 0.396013 0.635776 ] [ 0.896013 0.864224 0.119766 ] [ 0.396013 0.635776 0.880234 ] [ 0.619766 0.603987 0.135776 ] [ 0.603987 0.135776 0.619766 ] [ 0.119766 0.896013 0.864224 ] [ 0.380234 0.103987 0.364224 ] [ 0.103987 0.364224 0.380234 ] [ 0.869185 0.629914 0.115731 ] [ 0.364224 0.380234 0.103987 ] [ 0.129914 0.115731 0.630815 ] [ 0.370086 0.884269 0.130815 ] [ 0.115731 0.630815 0.129914 ] [ 0.130815 0.370086 0.884269 ] [ 0.630815 0.129914 0.115731 ] [ 0.384269 0.369185 0.629914 ] [ 0.369185 0.629914 0.384269 ] [ 0.884269 0.130815 0.370086 ] [ 0.615731 0.869185 0.870086 ] [ 0.869185 0.870086 0.615731 ] [ 0.870086 0.615731 0.869185 ] [ 0.370086 0.615731 0.630815 ] [ 0.870086 0.884269 0.369185 ] [ 0.629914 0.115731 0.869185 ] [ 0.884269 0.369185 0.870086 ] [ 0.133169 0.133169 0.133169 ] [ 0.366831 0.866831 0.633169 ] [ 0.633169 0.366831 0.866831 ] [ 0.866831 0.633169 0.366831 ] [ 0.866831 0.866831 0.866831 ] [ 0.633169 0.133169 0.366831 ] [ 0.366831 0.633169 0.133169 ] [ 0.133169 0.366831 0.633169 ] [ 0.129914 0.384269 0.130815 ] [ 0.130815 0.129914 0.384269 ] [ 0.384269 0.130815 0.129914 ] [ 0.115731 0.869185 0.629914 ] [ 0.630815 0.370086 0.615731 ] [ 0.615731 0.630815 0.370086 ] [ 0.369185 0.870086 0.884269 ] [ 0.629914 0.384269 0.369185 ] [ 0.370234 0.129766 0.870234 ] [ 0.129766 0.870234 0.370234 ] [ 0.870234 0.370234 0.129766 ] [ 0.629766 0.629766 0.629766 ] [ 0.629766 0.870234 0.129766 ] [ 0.870234 0.129766 0.629766 ] [ 0.129766 0.629766 0.870234 ] [ 0.370234 0.370234 0.370234 ] [ 0.985358 0.259636 0.02196 ] [ 0.485358 0.240364 0.97804 ] [ 0.014642 0.759636 0.47804 ] [ 0.240364 0.97804 0.485358 ] [ 0.47804 0.014642 0.759636 ] [ 0.97804 0.485358 0.240364 ] [ 0.259636 0.02196 0.985358 ] [ 0.02196 0.985358 0.259636 ] [ 0.759636 0.47804 0.014642 ] [ 0.740364 0.52196 0.514642 ] [ 0.52196 0.514642 0.740364 ] [ 0.514642 0.740364 0.52196 ] [ 0.014642 0.740364 0.97804 ] [ 0.514642 0.759636 0.02196 ] [ 0.985358 0.240364 0.52196 ] [ 0.759636 0.02196 0.514642 ] [ 0.52196 0.985358 0.240364 ] [ 0.02196 0.514642 0.759636 ] [ 0.740364 0.97804 0.014642 ] [ 0.97804 0.014642 0.740364 ] [ 0.240364 0.52196 0.985358 ] [ 0.259636 0.47804 0.485358 ] [ 0.47804 0.485358 0.259636 ] [ 0.485358 0.259636 0.47804 ] [ 0.26046 0.23954 0.76046 ] [ 0.23954 0.76046 0.26046 ] [ 0.76046 0.26046 0.23954 ] [ 0.73954 0.73954 0.73954 ] [ 0.73954 0.76046 0.23954 ] [ 0.76046 0.23954 0.73954 ] [ 0.23954 0.73954 0.76046 ] [ 0.26046 0.26046 0.26046 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.60605645 "source-unit" "angstrom" } }