{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3309911 0.3953071 -1.0520211 ] [ 0.6239155 -0.973778 -0.4321735 ] [ -1.1827531 1.1907999 0.4248364 ] [ -1.6850112 2.1224002 -0.9688379 ] [ -0.5599636 -0.4823092 -0.2497633 ] [ 2.4138286 -1.5006811 -0.0942973 ] [ -0.1194319 -0.6764557 1.0556472 ] [ 0.8404068 -0.0752832 1.3166096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.303062021128749e-10 6.333517936562478e-10 -1.685523611008299e-09 ] [ 9.996228274547424e-10 -1.560164345449383e-09 -6.924182778293088e-10 ] [ -1.894979364998724e-09 1.907871759830978e-09 6.806629477448371e-10 ] [ -2.699685550426153e-09 3.400459980421244e-09 -1.552249432724969e-09 ] [ -8.971605884190028e-10 -7.727445242367514e-10 -4.001649199938566e-10 ] [ 3.867379749538395e-09 -2.404356173696427e-09 -1.510809294645638e-10 ] [ -1.913509979577235e-10 -1.083801507546899e-09 1.691333263652982e-09 ] [ 1.346480126921342e-09 -1.206169829790106e-10 2.10944111984084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.436253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.837731270615387e-18 } }