{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0438735 -5.6980843 -3.2598237 ] [ -2.4673953 -0.4730294 9.5831278 ] [ 1.4136849 -1.1853499 3.3820645 ] [ -19.0580959 -22.6286881 12.1985551 ] [ 11.0658154 14.7582513 -16.7586361 ] [ 4.3312367 7.8319727 2.7972642 ] [ 11.4149749 9.3814802 -3.5893231 ] [ -1.6563473 -1.9865525 -4.3532287 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.08117619997267e-09 -9.129337448807533e-09 -5.222813320069753e-09 ] [ -3.953203063931803e-09 -7.578766456310516e-10 1.535386331529854e-08 ] [ 2.264972895957986e-09 -1.899139897247618e-09 5.418664671937642e-09 ] [ -3.053443568794434e-08 -3.625515503319518e-08 1.954423978876061e-08 ] [ 1.77293907239686e-08 2.364532519675121e-08 -2.685029495591489e-08 ] [ 6.939406179890943e-09 1.254820355468385e-08 4.481711303440816e-09 ] [ 1.828880591179882e-08 1.503078824493811e-08 -5.750729555317381e-09 ] [ -2.653760919985204e-09 -3.182807971491792e-09 -6.974641248135576e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.846749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.859364400508578e-18 } }