{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2119046 0.1186702 -0.7480536999999999 ] [ -0.3704273 -0.854583 0.30532829999999994 ] [ 0.3120659 0.2735823 1.2863725999999998 ] [ -2.2205059 -1.701108 2.2388699999999995 ] [ 1.0942741 2.2503195 -0.6988942999999999 ] [ -1.1151044 0.5843564 -1.3865025999999998 ] [ -0.4202731 -0.4027172 -2.0304260999999997 ] [ -0.4919339 -0.2685203 1.0333056999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.146038458359975e-09 1.901306200256602e-10 -1.198514149242937e-09 ] [ -5.934899597660679e-10 -1.369192903133126e-09 4.891898639286085e-10 ] [ 4.999846891289107e-10 4.383271649246919e-10 2.06099610535771e-09 ] [ -3.557642639328463e-09 -2.725475467055847e-09 3.587065171010495e-09 ] [ 1.753220379766961e-09 3.605409292230345e-09 -1.119752107870381e-09 ] [ -1.786594199431212e-09 9.362421622948531e-10 -2.221422050398414e-09 ] [ -6.733517351711405e-10 -6.452240826340378e-10 -3.253101227682122e-09 ] [ -7.881649935589652e-10 -4.302169468702022e-10 1.655538234679379e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.366992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.064240152242064e-18 } }