{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.30636e-10 0.0 0.0 ] "source-value" [ 5.30636 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] "source-value" [ -0.0781877 5.44815 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] "source-value" [ -0.00200818 -0.0968672 5.44923 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.873510878355988e-10 2.635677472901558e-09 -1.863073299336789e-09 ] [ 9.110543436392563e-10 5.861873989461236e-10 6.226234587857088e-10 ] [ 1.928926283240235e-09 2.381698512360397e-09 -4.217860211215271e-09 ] [ 1.490031146703469e-09 -2.478080170684877e-10 1.028918787183732e-09 ] [ -1.041603219490606e-09 -1.453644273686143e-09 -2.977445298114524e-09 ] [ -6.069315807439316e-10 -2.636019858045423e-09 4.598577590950533e-09 ] [ -2.540017114491763e-09 -1.131755454895753e-09 -2.059185485558544e-09 ] [ -9.288109466922585e-10 -1.343359407299347e-10 4.867444297087491e-09 ] ] "source-value" [ [ 0.49142590000000014 1.6450605000000005 -1.1628389000000001 ] [ 0.5686354000000001 0.36586940000000007 0.3886110000000001 ] [ 1.2039411000000002 1.4865393000000002 -2.6325813000000005 ] [ 0.9300043000000002 -0.15466960000000002 0.6422006000000001 ] [ -0.6501176000000001 -0.9072934000000002 -1.8583752000000004 ] [ -0.3788169000000001 -1.6452742000000005 2.8702064000000003 ] [ -1.5853540000000004 -0.7063862000000001 -1.2852425000000003 ] [ -0.5797182000000001 -0.08384590000000001 3.0380198000000007 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.801710174520589e-18 "source-value" -36.211427 } }