{ "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" [ [ 1.182714604932242e-09 2.659214568984745e-09 -2.191364896556882e-09 ] [ 1.122058120680699e-09 6.27959027368297e-10 9.635256279704564e-10 ] [ 2.404820164045811e-09 2.756860184445374e-09 -4.843255435554963e-09 ] [ 1.666341391198109e-09 -2.739898260996288e-10 1.610672162331792e-09 ] [ -1.201409282396723e-09 -1.579039588219027e-09 -3.511699423638713e-09 ] [ -1.065104747252811e-09 -2.804819739412401e-09 5.288502721740215e-09 ] [ -2.716153362605384e-09 -1.085218792985658e-09 -2.541208332809328e-09 ] [ -1.393266888601943e-09 -3.009656738640384e-10 5.224827576517424e-09 ] ] "source-value" [ [ 0.7381924000000001 1.6597512000000005 -1.3677424000000002 ] [ 0.7003336000000001 0.3919412000000001 0.6013854000000001 ] [ 1.5009707000000005 1.7206968000000005 -3.0229223000000007 ] [ 1.0400485000000002 -0.17101100000000002 1.0053025000000002 ] [ -0.7498607000000002 -0.9855590000000002 -2.1918304000000006 ] [ -0.6647861000000002 -1.7506308000000004 3.3008238000000008 ] [ -1.6952896000000004 -0.6773403000000001 -1.5860975000000004 ] [ -0.8696088000000002 -0.18784800000000004 3.261080900000001 ] ] } "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" -5.781684729154871e-18 "source-value" -36.086438 } }