{ "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" [ [ 2.4738287 -2.4436843 3.4569146 ] [ -2.0316278 1.1731956 -0.7189217 ] [ 0.5690762 0.4294817 1.1302875 ] [ -2.3137703 0.6507867 -3.2983178 ] [ 0.5375182 0.4088749 2.0985216 ] [ -2.847044 2.5887391 -3.2646533 ] [ 1.7398464 -2.026434 0.7386319 ] [ 1.8721726 -0.7809596 -0.1424628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.963510507004057e-09 -3.915213854076014e-09 5.538587752222184e-09 ] [ -3.255026563327338e-09 1.879666561945428e-09 -1.151839539925791e-09 ] [ 9.117605830937051e-10 6.881055388014394e-10 1.81092020728248e-09 ] [ -3.707068680561402e-09 1.042675235867584e-09 -5.28448766712849e-09 ] [ 8.611990932944985e-10 6.550898056119379e-10 3.36220224576381e-09 ] [ -4.561467335188915e-09 4.147617263370834e-09 -5.230551192277569e-09 ] [ 2.787541225863045e-09 -3.246705178394228e-09 1.183418761557083e-09 ] [ 2.99955116982235e-09 -1.25123521290932e-09 -2.282505674937062e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.245681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.646980608237477e-18 } }