{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0300354 -0.2345141 0.373049 ] [ 0.7906149 -0.647962 -0.5945403 ] [ -0.1007963 -0.108343 1.9075063 ] [ -1.3450941 -1.4018697 1.6554429 ] [ 1.1940119 1.9164681 -0.3391746 ] [ -0.8021009 0.433462 -0.2583328 ] [ 0.3365966 -0.3223876 -1.4460076 ] [ 0.9568034 0.3651463 -1.2979429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650298650072844e-09 -3.757330113635394e-10 5.97690391137066e-10 ] [ 1.266704719272246e-09 -1.038149576119908e-09 -9.525585766313501e-10 ] [ -1.614934766536542e-10 -1.73584623057462e-10 3.056162023067794e-09 ] [ -2.155078337551259e-09 -2.24604287725259e-09 2.652311933301198e-09 ] [ 1.913017966897944e-09 3.070520409626375e-09 -5.434176189662963e-10 ] [ -1.28510732009037e-09 6.94482688126908e-10 -4.138947759557951e-10 ] [ 5.392872076038444e-10 -5.165218798113383e-10 -2.316759589306418e-09 ] [ 1.532968050811755e-09 5.850288698515541e-10 -2.079533786646199e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.345252 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.823151351124177e-18 } }