{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0777124 -1.0957563 -0.1734919 ] [ 1.7068212 0.9066023 3.0354787 ] [ 0.5133629 0.6894171 -0.8621079 ] [ 1.0408815 -0.3401139 -2.4615495 ] [ -1.3283942 -0.7954506 -1.3418219 ] [ -0.1201924 0.6424121 2.1351649 ] [ 0.3750783 -1.0279776 -1.2022566 ] [ 0.8901551 1.0208669 0.8705842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.931038852826258e-09 -1.755595125954311e-09 -2.779646660781715e-10 ] [ 2.734629022525801e-09 1.452537009423508e-09 4.863373006076377e-09 ] [ 8.224980363660882e-10 1.104567959599736e-09 -1.381249121986985e-09 ] [ 1.667676004323235e-09 -5.449225389891091e-10 -3.94383705984193e-09 ] [ -2.128322130446319e-09 -1.274452354321333e-09 -2.149835677457436e-09 ] [ -1.925694532778419e-10 1.029257647539032e-09 3.42091128433277e-09 ] [ 6.009416832294086e-10 -1.647001677426094e-09 -1.926227416722497e-09 ] [ 1.426185690105886e-09 1.635609080128572e-09 1.394829651677871e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.953604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.760402376230136e-18 } }