{ "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" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9411035 -1.8767136 2.6097291 ] [ -0.7284988 0.2485063 0.3753228 ] [ 1.8001702 -2.2651631 1.8570492 ] [ 0.1277939 0.6425861 1.0186887 ] [ 0.53493 -0.1667473 -0.4274576 ] [ -1.5241606 1.6096125 -4.0046283 ] [ -0.4488616 -0.6043897 0.7386593 ] [ -2.7024766 2.4123087 -2.1673632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.712167267053053e-09 -3.006826653857403e-09 4.181246950641425e-09 ] [ -1.167183745640855e-09 3.981509839815111e-10 6.013334154131943e-10 ] [ 2.88419060790086e-09 -3.629191361118853e-09 2.975320811915344e-09 ] [ 2.047483988608531e-10 1.029536426271051e-09 1.632119219013145e-09 ] [ 8.57052339764544e-10 -2.671586256415238e-10 -6.84862573103278e-10 ] [ -2.441974479664501e-09 2.57888351604744e-09 -6.416121837254049e-09 ] [ -7.191555614948813e-10 -9.683390471923258e-10 1.183462661196493e-09 ] [ -4.329844826779073e-09 3.864944601292441e-09 -3.472498647822275e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.912453 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.753809259217883e-18 } }