{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9144276 12.1710718 13.1931574 ] [ -0.1761029 0.1928038 -0.3939605 ] [ 1.0881479 -0.6122283 0.7650467 ] [ 11.596966 -13.0979595 -13.2503701 ] [ -9.7905458 11.1193393 10.8120671 ] [ -0.4488463 0.5310271 -0.0238721 ] [ -0.4007598 0.1048822 -0.5997671 ] [ 9.0455685 -10.4089364 -10.5023015 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.748684073013425e-08 1.950020668803817e-08 2.113776834081452e-08 ] [ -2.821479492350803e-10 3.08905740761399e-10 -6.311943026186783e-10 ] [ 1.743405125352616e-09 -9.808978688521287e-10 1.225739936560191e-09 ] [ 1.858038779741249e-08 -2.098524449108526e-08 -2.122943319116736e-08 ] [ -1.568618358563163e-08 1.781514546520264e-08 1.732284113014086e-08 ] [ -7.191310481925831e-10 8.507992046312236e-10 -3.824732050939968e-11 ] [ -6.420879821164838e-10 1.680398087780698e-10 -9.609328255450156e-10 ] [ 1.449259837254492e-08 -1.667695454747412e-08 -1.682654192789277e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -60.509066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.694621089164418e-18 } }