{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.188635 -0.220868 -2.0581242 ] [ 1.7750399 0.7179429 1.6398547 ] [ 0.5765178 0.9169806 -0.9285231 ] [ -0.8382749 -0.9063541 0.1809324 ] [ 0.0345449 1.6619597 -0.7378517 ] [ -0.5851219 -1.0727602 1.7434859 ] [ -0.2104284 -0.5891199 -1.020501 ] [ 0.4363575 -0.5077811 1.180727 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.904403207664608e-09 -3.538695458828544e-10 -3.297478475942703e-09 ] [ 2.84392742876717e-09 1.150271329449352e-09 2.627336861848998e-09 ] [ 9.236833406350502e-10 1.469164879047157e-09 -1.487658002692741e-09 ] [ -1.343064446583458e-09 -1.452139349186225e-09 2.898856612252339e-10 ] [ 5.534703114787392e-11 2.662752976051782e-09 -1.182168743357535e-09 ] [ -9.374686284980755e-10 -1.718751312164732e-09 2.793372347674447e-09 ] [ -3.371434628323507e-10 -9.43874130628034e-10 -1.635022843703021e-09 ] [ 6.991217848107361e-10 -8.135550069041069e-10 1.891733194947322e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.277432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.812285341306179e-18 } }