{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.33919770000000005 1.2475507000000001 -0.9237778000000002 ] [ 0.4847804000000001 0.23532190000000006 0.3991755000000001 ] [ 0.9021151000000002 1.0955708000000002 -2.1378570000000003 ] [ 0.7349702000000001 -0.14283650000000003 0.6331246000000001 ] [ -0.4834808000000001 -0.6805515000000001 -1.6068266000000004 ] [ -0.25874150000000007 -1.2717598000000003 2.2421045000000004 ] [ -1.2566786000000003 -0.4599940000000001 -1.0230008000000002 ] [ -0.4621626000000001 -0.023301800000000004 2.4170575000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.434546292465418e-10 1.998796581270344e-09 -1.480055206167925e-09 ] [ 7.767038295011737e-10 3.770272496484846e-10 6.395496589652671e-10 ] [ 1.445347734398573e-09 1.755297936652687e-09 -3.425224532233338e-09 ] [ 1.177552081126307e-09 -2.28849302782341e-10 1.014377440530597e-09 ] [ -7.746216407476274e-10 -1.090363711533651e-09 -2.574420033409665e-09 ] [ -4.145495855461111e-10 -2.037583835620513e-09 3.592247440886253e-09 ] [ -2.013421089367833e-09 -7.369916385801961e-10 -1.639027978323307e-09 ] [ -7.404661188286885e-10 -3.73335994901412e-11 3.872553049534455e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.188823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.798088662256178e-18 } }