{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45804e-10 0.0 0.0 ] "source-value" [ 5.45804 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] "source-value" [ -0.0357167 5.39587 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] "source-value" [ 0.019829 -0.0610013 5.23355 ] } "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" [ [ -6.241911245220968e-09 7.724484740407598e-09 4.95264612716969e-09 ] [ -9.619383355704635e-09 -6.961401821847259e-09 9.659631314160427e-09 ] [ -4.335248487868046e-09 -1.078590972827798e-08 -5.873773675659241e-09 ] [ 8.847098335722729e-09 -2.43332961527165e-09 5.240914230878566e-09 ] [ 3.668406075871891e-10 2.380848237227739e-09 -5.134266946291634e-09 ] [ 2.95861251302533e-09 1.567327677120979e-09 1.41541441690191e-09 ] [ 6.738436033937261e-09 7.312133985471263e-09 -9.577455995714922e-09 ] [ 1.285555598521138e-09 1.195846685386967e-09 -6.831093112271367e-10 ] ] "source-value" [ [ -3.8958946 4.8212442 3.0911986 ] [ -6.0039469 -4.3449653 6.0290677 ] [ -2.7058493 -6.7320354 -3.6661212 ] [ 5.5219245 -1.5187649 3.2711214 ] [ 0.2289639 1.4860086 -3.2045574 ] [ 1.8466207 0.978249 0.8834322 ] [ 4.205801 4.5638751 -5.9777779 ] [ 0.8023807 0.7463888 -0.4263633 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.168514633422311e-18 "source-value" -19.776313 } }