{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5023078 0.1261425 1.9719552 ] [ -0.2024013 -0.5886153 -0.1946887 ] [ 1.3946674 1.5156761 0.5239327 ] [ -1.6106951 0.8809888 -3.3975756 ] [ -0.0433209 -0.0480821 -0.4282047 ] [ -2.2155118 0.8660342 -0.602831 ] [ 3.1597268 -2.3419536 1.6429852 ] [ -1.9847729 -0.4101906 0.4844268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.406962454235945e-09 2.021025660543449e-10 3.159420544734796e-09 ] [ -3.242826335512242e-10 -9.430656800749e-10 -3.119256860438357e-10 ] [ 2.234503520481531e-09 2.428380832132247e-09 8.394327297285318e-10 ] [ -2.580618053718293e-09 1.411499670175699e-09 -5.44351623856853e-09 ] [ -6.940773374385059e-11 -7.703601713365139e-11 -6.860595649089798e-10 ] [ -3.54964123831128e-09 1.387539759484882e-09 -9.65841742450854e-10 ] [ 5.06244044878359e-09 -3.752223335832182e-09 2.632352497447817e-09 ] [ -3.179956764176418e-09 -6.571977948064404e-10 7.761372998433911e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.975794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76395765363974e-18 } }