{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5156307 0.7321119 -0.0216386 ] [ -1.0505109 0.0181423 -1.0077992 ] [ 0.9215099 0.4353132 -0.467004 ] [ -0.2426761 -0.6281054 0.9370881 ] [ 0.2369232 0.7094236 0.4591922 ] [ -0.3847816 -1.1203514 0.9269373 ] [ -1.3373103 -0.0329525 -0.2387637 ] [ 1.3412151 -0.1135816 -0.5880121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.261314525067386e-10 1.172972569989468e-09 -3.466885902684288e-11 ] [ -1.683104003875567e-09 2.906716890753984e-11 -1.614672316700944e-09 ] [ 1.476421617615746e-09 6.974486317656345e-10 -7.482228906200832e-10 ] [ -3.888099738469229e-10 -1.006335787278232e-09 1.501380645449892e-09 ] [ 3.795928119651226e-10 1.136621906163771e-09 7.357070072937178e-10 ] [ -6.164880836340174e-10 -1.795000820160549e-09 1.485117271007476e-09 ] [ -2.142607297415034e-09 -5.2795725096912e-11 -3.82541618035705e-10 ] [ 2.148863476683934e-09 -1.819777840730573e-10 -9.420992393675117e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 157.47974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.523103576776626e-17 } }