{ "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" [ [ 6.969405899999999 -3.2748011999999997 5.5591326999999975 ] [ -0.9866018999999999 -9.303405799999998 -1.6753388999999994 ] [ -5.145215199999999 -1.1427701999999997 9.459189899999997 ] [ 0.12904249999999998 -2.4709545999999993 -0.07121739999999997 ] [ -12.747346399999998 6.193903699999999 7.2577019999999965 ] [ 1.7007411999999997 10.284056099999999 -2.6439157999999985 ] [ 2.4441576999999994 4.943541299999999 -8.179672099999996 ] [ 7.6358160999999996 -5.229569299999999 -9.705880399999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.116621919384558e-08 -5.246809920407784e-09 8.906712443864777e-09 ] [ -1.580710498216859e-09 -1.490569926657512e-08 -2.684188817496788e-09 ] [ -8.243543502424795e-09 -1.83091969738694e-09 1.515529290948749e-08 ] [ 2.067488765895839e-10 -3.958905691178215e-09 -1.141028532741619e-10 ] [ -2.042350037931904e-08 9.923727699626615e-09 1.16281204651334e-08 ] [ 2.724887788671337e-09 1.647687425041562e-08 -4.236020082123727e-09 ] [ 3.915972324488299e-09 7.920426294819236e-09 -1.310527940443003e-08 ] [ 1.223392603614823e-08 -8.378693669313419e-09 -1.555053466116095e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.55433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.171643063660806e-18 } }