{ "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" [ [ -0.29196639999999996 1.3644677999999997 -1.0136211999999996 ] [ 0.33166209999999996 2.0522849999999995 -0.1698052999999999 ] [ 0.27657919999999997 -0.8643563999999999 -0.9611584999999996 ] [ -0.30084829999999996 -0.8783255999999999 -0.41530589999999984 ] [ -5.568718699999999 6.807718999999999 6.353192799999998 ] [ 0.05621489999999999 -1.1667194999999997 1.4463727999999993 ] [ 0.0043143999999999995 -0.7615495999999999 0.29640529999999987 ] [ 5.4927627999999995 -6.553520699999999 -5.536079899999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.677817439930975e-10 2.186118427005385e-09 -1.62400020236704e-09 ] [ 5.313812670033713e-10 3.288123073308689e-09 -2.7205808398936e-10 ] [ 4.431287316904127e-10 -1.384851627528358e-09 -1.539945690270488e-09 ] [ -4.82012116638622e-10 -1.40723275336403e-09 -6.653934089423402e-10 ] [ -8.922070982458854e-09 1.090716831263784e-08 1.017893705545703e-08 ] [ 9.006619926264657e-11 -1.869290721332162e-09 2.317344704213154e-09 ] [ 6.912430869729599e-12 -1.220136974752046e-09 4.748936458537599e-10 ] [ 8.800376214264412e-09 -1.049989773597532e-08 -8.869777859737051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.530914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.532462356146348e-18 } }