{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0705151 0.8630533 -0.6189375 ] [ -0.3850803 -1.5028416 3.0472274 ] [ 0.1751148 1.0653469 -1.9489058 ] [ 1.9639713 -0.5112853 -1.1833839 ] [ -0.1317842 0.5054023 0.4969796 ] [ -2.2270004 -1.6292434 1.9479054 ] [ 0.1378163 -0.3117196 -4.6331353 ] [ 2.5374774 1.5212873 2.8922501 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.317330886233375e-09 1.382763819764289e-09 -9.916471922364001e-10 ] [ -6.169666537906502e-10 -2.407817676285665e-09 4.88219649854117e-09 ] [ 2.805648385160678e-10 1.706873896221755e-09 -3.122491308901521e-09 ] [ 3.146628900782183e-09 -8.191693542187144e-10 -1.895990018011125e-09 ] [ -2.111415642308313e-10 8.097437491585478e-10 7.962490961345358e-10 ] [ -3.568047975392249e-09 -2.610335685072703e-09 3.120888491410073e-09 ] [ 2.208060538251591e-10 -4.994298553651277e-10 -7.423101058663195e-09 ] [ 4.06548696608837e-09 2.437370945579956e-09 4.633895491726462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.762449 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.729775969035234e-18 } }