{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1152533 -1.3131814 6.1402881 ] [ -2.9264364 4.2104534 -5.8546079 ] [ -2.1058637 -0.7161453 -1.479062 ] [ 3.0530995 -0.3734033 1.297651 ] [ 5.1538377 -4.3299085 2.4994146 ] [ -2.8311499 3.808897 -2.4675286 ] [ -6.284655 -6.8596696 -5.2132453 ] [ 4.8259145 5.5729577 5.0770901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.786832763530049e-09 -2.103948537949413e-09 9.837826038796452e-09 ] [ -4.688667982338117e-09 6.74589000044787e-09 -9.380115901330986e-09 ] [ -3.373965586731385e-09 -1.147391256755802e-09 -2.36971855711369e-09 ] [ 4.89160463987617e-09 -5.982580373895687e-10 2.079066094157741e-09 ] [ 8.257358270337645e-09 -6.937278168903198e-09 4.004503637806184e-09 ] [ -4.536002179760258e-09 6.102525724435258e-09 -3.953416634075355e-09 ] [ -1.006912731079382e-08 -1.099040225953249e-08 -8.352539738155482e-09 ] [ 7.731967385879721e-09 8.92886253564734e-09 8.134395059915134e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.016812 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.61031175213489e-18 } }