{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9524309999999999 -0.20872969999999996 0.35362439999999995 ] [ 2.1752098999999996 1.9227376999999999 -3.1763724999999994 ] [ -3.5519060999999996 1.4448313999999998 -2.1121170999999994 ] [ 0.7283071999999999 1.6453859999999998 0.13944579999999998 ] [ 0.20296939999999997 0.45315209999999995 2.2960076999999997 ] [ -0.9389431999999999 -0.4415588999999999 -0.47407479999999996 ] [ 0.36230739999999995 -2.8822404999999995 2.6889854999999994 ] [ 1.9744864999999998 -1.9335780999999999 0.28450099999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.525962681125165e-09 -3.344218454065977e-10 5.665687462244274e-10 ] [ 3.485070447112705e-09 3.080565390870764e-09 -5.089109758452047e-09 ] [ -5.690780912696906e-09 2.314875090077733e-09 -3.383984638011895e-09 ] [ 1.16687676860031e-09 2.636198981391628e-09 2.234168006287526e-10 ] [ 3.251928274178034e-10 7.260297002864236e-10 3.67860985811678e-09 ] [ -1.504352843299138e-09 -7.074553462861649e-10 -7.595515610704358e-10 ] [ 5.804804458228338e-10 -4.617858344622902e-09 4.308229701770198e-09 ] [ 3.163476108385219e-09 -3.097933626310885e-09 4.558208507942207e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.698307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.719499287754099e-18 } }