{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.6091625 6.8931836 -7.6207952 ] [ -3.2362641 -6.4036221 17.4670539 ] [ 20.1170717 12.3968311 -21.7242559 ] [ -25.8264845 21.1820978 -25.8091151 ] [ -1.2920244 6.5451724 -4.5131865 ] [ -10.9976478 -5.6778666 -4.4114917 ] [ 12.1901632 -17.4439262 23.1773637 ] [ -6.5639766 -17.49187 23.4344267 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.500863522776808e-08 1.104409760680198e-08 -1.220985990134486e-08 ] [ -5.185066679754354e-09 -1.02597336170582e-08 2.798530539283346e-08 ] [ 3.223110195669731e-08 1.986191296042635e-08 -3.480609490725646e-08 ] [ -4.137858966335358e-08 3.393746187465912e-08 -4.135076081675626e-08 ] [ -2.070051287183148e-09 1.048652219838543e-08 -7.230921895610179e-09 ] [ -1.762017418895255e-08 -9.096945122541186e-09 -7.067988864593248e-09 ] [ 1.953079448277652e-08 -2.794825073260059e-08 3.713423025191858e-08 ] [ -1.051664984799827e-08 -2.80250651680729e-08 3.75460905805913e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.0960831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.358295338073989e-19 } }