{ "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" [ 5.46856 0 0 ] "si-unit" "m" "si-value" [ 5.46856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.109414 5.47364 0 ] "si-unit" "m" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0853482 0.188746 5.50226 ] "si-unit" "m" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7411882 -5.1654631 -2.6257521 ] [ 0.4418943 0.9133819 9.5232274 ] [ 6.1431524 -1.7060802 0.6797875 ] [ -5.1430701 -0.421062 -2.102936 ] [ -1.2264619 -1.7585273 -8.0657932 ] [ 0.5951697 4.0618949 6.1980901 ] [ -1.3543154 -9.7395492 -10.2380937 ] [ 6.2848191 13.8154051 6.63147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.198397509652835e-09 -8.275984214425093e-09 -4.206918626636504e-09 ] [ 7.079927163247815e-10 1.463399126041883e-09 1.525789229484197e-08 ] [ 9.842415153291408e-09 -2.733441809649788e-09 1.08913963961208e-09 ] [ -8.240106673355519e-09 -6.746156923072895e-10 -3.369274894238669e-09 ] [ -1.965008582481948e-09 -2.817471327098548e-09 -1.292282529324762e-08 ] [ 9.535669787485498e-10 6.507873044926755e-09 9.930435051831935e-09 ] [ -2.1698524710694e-09 -1.560447802537135e-08 -1.640323436769977e-08 ] [ 1.00693902279773e-08 2.213471905810109e-08 1.062478619553658e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -34.298853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.495282039685594e-18 } }