{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.38229 0 0.004426 ] [ 0.61771 0 0.504426 ] [ 0.991474 0.748831 0.002733 ] [ 0.008526 0.748831 0.502733 ] [ 0.993831 0.5 0.25501 ] [ 0.006169 0.5 0.75501 ] [ 0.991474 0.251169 0.002733 ] [ 0.008526 0.251169 0.502733 ] [ 0.040731 0 0.28982 ] [ 0.959269 0 0.78982 ] [ 0.56683 0.5 0.997003 ] [ 0.43317 0.5 0.497003 ] [ 0.497806 0.75053 0.248346 ] [ 0.502194 0.75053 0.748346 ] [ 0.497806 0.24947 0.248346 ] [ 0.502194 0.24947 0.748346 ] [ 0.196316 0 0.455082 ] [ 0.803684 0 0.955082 ] [ 0.256133 0.855407 0.162114 ] [ 0.743867 0.855407 0.662114 ] [ 0.736858 0.850736 0.338778 ] [ 0.263142 0.850736 0.838778 ] [ 0.697612 0.647995 0.139588 ] [ 0.302388 0.647995 0.639588 ] [ 0.295484 0.646584 0.354928 ] [ 0.704516 0.646584 0.854928 ] [ 0.80657 0.5 0.494746 ] [ 0.19343 0.5 0.994746 ] [ 0.295484 0.353416 0.354928 ] [ 0.704516 0.353416 0.854928 ] [ 0.697612 0.352005 0.139588 ] [ 0.302388 0.352005 0.639588 ] [ 0.736858 0.149264 0.338778 ] [ 0.263142 0.149264 0.838778 ] [ 0.743867 0.144593 0.662114 ] [ 0.256133 0.144593 0.162114 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.50867153 "source-unit" "angstrom" } "b" { "source-value" 9.10647679 "source-unit" "angstrom" } "c" { "source-value" 9.24516177 "source-unit" "angstrom" } }