{ "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" [ [ 0.09076510000000002 2.2697861000000006 -1.2653768000000003 ] [ 0.8669015000000002 0.04558410000000001 -0.13464300000000004 ] [ 1.2950127000000002 1.4283831000000002 -2.6062115000000006 ] [ 1.7453105000000004 -0.16394100000000003 -0.03517340000000001 ] [ -0.6554148000000001 -1.7029606000000004 -1.6040429000000005 ] [ -0.5371362000000001 -1.1987002000000002 2.3204922000000003 ] [ -2.5861126000000003 -1.1111559000000002 0.25916800000000006 ] [ -0.21932620000000005 0.4330043000000001 3.065787400000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.454217224026734e-10 3.636598253597988e-09 -2.027357142165692e-09 ] [ 1.388929327279551e-09 7.30337799019194e-11 -2.157218685316621e-10 ] [ 2.074839088673252e-09 2.288522027220485e-09 -4.175611168562092e-09 ] [ 2.796295702174857e-09 -2.62662439554594e-10 -5.63539996183356e-11 ] [ -1.050090278137783e-09 -2.72844368194262e-09 -2.569960054313599e-09 ] [ -8.605870689155508e-10 -1.920529451611127e-09 3.717838382219255e-09 ] [ -4.143409180612988e-09 -1.780268019711241e-09 4.152329138805121e-10 ] [ -3.513993128640108e-10 6.937493718815264e-10 4.911932937091612e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -330.15529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.289670912294938e-17 } }