{ "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" [ [ 7.873504469649505e-10 2.635676351377924e-09 -1.863072177813155e-09 ] [ 9.110543436392563e-10 5.861872387284615e-10 6.226232985680467e-10 ] [ 1.928924520845952e-09 2.381696589748452e-09 -4.217857807950339e-09 ] [ 1.490030666050483e-09 -2.478080170684877e-10 1.02891862696607e-09 ] [ -1.04160273883762e-09 -1.453643793033156e-09 -2.977444657243876e-09 ] [ -6.069301387849728e-10 -2.636018255868803e-09 4.598575027467939e-09 ] [ -2.540016153185791e-09 -1.131754653807443e-09 -2.059184844687896e-09 ] [ -9.288109466922585e-10 -1.343356202946106e-10 4.867442534693209e-09 ] ] "source-value" [ [ 0.4914255000000001 1.6450598000000005 -1.1628382000000002 ] [ 0.5686354000000001 0.36586930000000006 0.3886109000000001 ] [ 1.2039400000000002 1.4865381000000002 -2.6325798000000002 ] [ 0.9300040000000003 -0.15466960000000002 0.6422005000000001 ] [ -0.6501173000000001 -0.9072931000000002 -1.8583748000000004 ] [ -0.3788160000000001 -1.6452732000000005 2.8702048000000002 ] [ -1.5853534000000005 -0.7063857000000001 -1.2852421000000003 ] [ -0.5797182000000001 -0.08384570000000001 3.0380187000000007 ] ] } "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" -5.80171033473825e-18 "source-value" -36.211428 } }