{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1255309999999996 2.5326124999999995 -1.0874010999999995 ] [ 2.3192499999999994 1.9871321999999998 1.1767168999999995 ] [ -0.4595371999999999 0.5225487999999999 -3.3043203999999986 ] [ 0.8893165999999999 -1.5078005999999997 -1.988174899999999 ] [ -22.905207199999996 25.182076199999997 25.27690809999999 ] [ -1.1763900999999999 -4.139848399999999 0.9397635999999996 ] [ 0.9961355999999999 0.023490699999999996 2.313124199999999 ] [ 22.461963199999996 -24.600211399999996 -23.32661659999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.405476103042653e-09 4.057692570476324e-09 -1.742208634205896e-09 ] [ 3.715848158404498e-09 3.183736779509014e-09 1.885308322012914e-09 ] [ -7.362597642937846e-10 8.37215477484739e-10 -5.294104936129532e-09 ] [ 1.424842276748324e-09 -2.41576289005118e-09 -3.185407369085285e-09 ] [ -3.669818777276856e-08 4.03461340832475e-08 4.049807153758532e-08 ] [ -1.884784730688923e-09 -6.632768374782284e-09 1.505667281403722e-09 ] [ 1.59598518261557e-09 3.763625065630379e-11 3.70603354477994e-09 ] [ 3.598803259280786e-08 -3.941388389654042e-08 -3.73733600667965e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -30.542959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.893521524302e-18 } }