{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.52208e-10 0.0 0.0 ] "source-value" [ 5.52208 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] "source-value" [ -0.0968577 5.45697 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] "source-value" [ 0.137264 0.147448 5.57607 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.924153518967091e-10 2.446868167935072e-10 -6.514514227237633e-10 ] [ 7.476012460912128e-10 -9.838455533990765e-10 -5.499926269056307e-10 ] [ -1.26422053398558e-09 1.122318153946255e-09 6.388394088001498e-10 ] [ -1.868671144232202e-09 2.499428212851064e-09 -1.378762543871503e-09 ] [ -6.433049954776436e-10 -5.244125954132622e-10 -1.984625793244685e-10 ] [ 2.586379780020839e-09 -1.485319625914683e-09 -4.834277959295635e-10 ] [ -1.768915141726656e-11 -9.027488202546912e-10 1.366590647865623e-09 ] [ 8.523201508973492e-10 2.989341139088641e-11 1.256666912089156e-09 ] ] "source-value" [ [ -0.2449264 0.1527215 -0.406604 ] [ 0.466616 -0.6140681 -0.3432784 ] [ -0.7890644 0.7004959 0.3987322 ] [ -1.1663328 1.5600204 -0.8605559 ] [ -0.4015194 -0.3273126 -0.1238706 ] [ 1.6142913 -0.9270636 -0.3017319 ] [ -0.0110407 -0.5634515 0.8529588 ] [ 0.5319764 0.018658 0.7843498 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.297968241166961e-18 "source-value" -26.825808 } }