{ "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" [ [ 0.3825419000000001 1.3318802000000003 -0.9039233000000002 ] [ 0.4458395000000001 0.27961860000000005 0.33378560000000007 ] [ 0.9649891000000003 1.1529311000000002 -2.0205046000000007 ] [ 0.7390013000000001 -0.12211380000000002 0.41649760000000013 ] [ -0.4707821000000001 -0.7168824000000001 -1.4078109000000003 ] [ -0.3858472000000001 -1.2632609000000001 2.0865742000000003 ] [ -1.2213272000000002 -0.5727310000000001 -0.8762594000000002 ] [ -0.45441530000000013 -0.08944190000000002 2.3716408000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.128996886564118e-10 2.133907318146429e-09 -1.448244778256385e-09 ] [ 7.143136235291617e-10 4.47998383660827e-10 5.347834846797007e-10 ] [ 1.546082975346834e-09 1.847199253813227e-09 -3.237205232338857e-09 ] [ 1.184010605600807e-09 -1.956478754370471e-10 6.673027173393103e-10 ] [ -7.542760741111278e-10 -1.148572221142994e-09 -2.255561710487407e-09 ] [ -6.181953630411419e-10 -2.023967079950767e-09 3.343060400804464e-09 ] [ -1.956781886187126e-09 -9.17616218207405e-10 -1.403922324436236e-09 ] [ -7.280535697938185e-10 -1.433017210999316e-10 3.79978744269541e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.342706240654238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.778607848017848e-18 } }