{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9679564 -3.1790077 4.2141704 ] [ -2.0605853 1.3119858 -0.7551862 ] [ 0.4090531 0.4686669 1.1276163 ] [ -2.3939863 0.9615451 -3.5086863 ] [ 0.4324676 0.565509 2.0056446 ] [ -3.4030064 3.1015728 -3.7959967 ] [ 1.9116658 -2.2061651 0.7933237 ] [ 2.1364351 -1.0241068 -0.080886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.755190394810757e-09 -5.093331856246081e-09 6.751845346574434e-09 ] [ -3.30142162002388e-09 2.102032992899797e-09 -1.209941683959251e-09 ] [ 6.553753188852654e-10 7.508871563092146e-10 1.806640487977534e-09 ] [ -3.835588911976114e-09 1.540565091757193e-09 -5.621535205895914e-09 ] [ 6.928894836820584e-10 9.06045306116706e-10 3.213396914228276e-09 ] [ -5.452217339432457e-09 4.969267468809955e-09 -6.081857215481106e-09 ] [ 3.062826276776917e-09 -3.534666173966273e-09 1.271044695338426e-09 ] [ 3.422946397277453e-09 -1.640799985680511e-09 -1.29593659217724e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.305359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.65654212447816e-18 } }