{ "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" [ [ -0.23353409999999997 1.4295704999999999 -0.8254678999999997 ] [ 0.30361849999999996 1.6842773999999998 -0.2907479999999999 ] [ 0.18078139999999998 -0.8150602999999998 -0.7038173999999997 ] [ -0.27866719999999995 -0.9964924999999999 -0.19422459999999991 ] [ -3.0507541999999996 4.527200799999999 3.5506482999999984 ] [ 0.20909999999999998 -0.9399026999999999 1.1988055999999996 ] [ -0.16477149999999996 -0.6545452999999999 0.25425599999999987 ] [ 3.0342270999999994 -4.235047899999999 -2.9894520999999985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.741628751795692e-10 2.290424432885367e-09 -1.322545370600872e-09 ] [ 4.864504623423648e-10 2.69850987322181e-09 -4.658296481443583e-10 ] [ 2.896437325554931e-10 -1.305870557202234e-09 -1.127639783592242e-09 ] [ -4.464740728237977e-10 -1.596556986302544e-09 -3.111821133042315e-10 ] [ -4.887847055047407e-09 7.253375279427056e-09 5.688765694943262e-09 ] [ 3.3501513140928e-10 -1.505890131766796e-09 1.920698305204116e-09 ] [ -2.639930450741471e-10 -1.048697176914522e-09 4.073630188981246e-10 ] [ 4.861367721817782e-09 -6.785294733348134e-09 -4.789630263621462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.945935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.355908735779645e-18 } }