{ "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" [ [ -0.21431549999999996 0.7267783999999999 -0.2872387999999999 ] [ 0.4864360999999999 1.0958488999999998 -0.22326879999999988 ] [ -0.18671249999999998 -0.36131959999999996 -0.5761852999999998 ] [ -0.08581979999999999 -0.8086547999999999 -0.6159475999999998 ] [ -3.1360310999999994 4.195674799999999 3.2356367999999986 ] [ 0.16984799999999997 -1.2098113999999998 0.9859646999999996 ] [ 0.0006081999999999999 0.10398209999999998 0.15677829999999993 ] [ 2.9659866999999998 -3.7424983999999997 -2.6757392999999987 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.433712835750623e-10 1.164427360982431e-09 -4.602072899466469e-10 ] [ 7.793565469331308e-10 1.755743487509397e-09 -3.577160515140709e-10 ] [ -2.9914640231112e-10 -5.788978157568076e-10 -9.231506169086339e-10 ] [ -1.374984771617318e-10 -1.2956078148577e-09 -9.868568443578698e-10 ] [ -5.024475710521705e-09 6.722212073039714e-09 5.184061634360123e-09 ] [ 2.721264946896383e-10 -1.938331540657317e-09 1.579689591274085e-09 ] [ 9.7444382077056e-13 1.665976896016876e-10 2.511865269087685e-10 ] [ 4.752034548343742e-09 -5.996143439861406e-09 -4.287006949815756e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.983842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.765247037896112e-18 } }