{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] "source-value" [ 5.36644 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] "source-value" [ -0.227231 5.37948 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] "source-value" [ -0.0350261 -0.0899265 5.39939 ] } "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" [ [ -1.810909793134445e-10 2.9767917702709e-09 -1.137671011415071e-09 ] [ -9.227452662235717e-10 1.883880767111119e-09 -4.060682999708563e-10 ] [ 2.643861711515929e-09 2.596322087041213e-09 -2.484316482963679e-09 ] [ -4.568380727307667e-10 1.470748310201493e-09 -4.130103870728869e-09 ] [ 1.483767757639776e-10 -2.000738883520071e-09 2.085814782519875e-09 ] [ -2.484959276223944e-09 -2.083071375492079e-09 3.632263374571575e-09 ] [ 4.108544501466397e-09 -1.911175287805405e-09 1.833250063281894e-09 ] [ -2.855149234036915e-09 -2.932757387807171e-09 6.068314447051315e-10 ] ] "source-value" [ [ -0.1130281 1.8579673 -0.7100784 ] [ -0.5759323 1.1758259 -0.2534479 ] [ 1.6501687 1.6204968 -1.5505884 ] [ -0.2851359 0.9179689 -2.5778081 ] [ 0.0926095 -1.248763 1.3018632 ] [ -1.5509896 -1.3001509 2.2670805 ] [ 2.5643518 -1.1928618 1.1442247 ] [ -1.782044 -1.8304832 0.3787544 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.589628112444626e-18 "source-value" -41.129224 } }