{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.298089200000001 0.9048281000000002 1.7149404000000004 ] [ -2.2266806000000003 -1.5993389000000005 -1.2382369000000002 ] [ 1.2928663000000002 0.9303453000000003 -0.6436157000000001 ] [ -3.105466700000001 -0.4749122000000001 0.7656539000000002 ] [ 3.809873800000001 0.3855867000000001 -1.3363890000000003 ] [ -1.9993994000000004 -0.06487710000000001 -1.4880268000000003 ] [ 0.2794517000000001 -0.8103804000000002 -0.23433550000000006 ] [ -2.3487343000000003 0.7287485000000001 2.4600097000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.886298087087753e-09 1.449694439606616e-09 2.747637437582614e-09 ] [ -3.567535628701101e-09 -2.562423415427263e-09 -1.983874228536595e-09 ] [ 2.071400176746035e-09 1.490577501211721e-09 -1.031186035815554e-09 ] [ -4.975506184405089e-09 -7.60893230041535e-10 1.226712788310973e-09 ] [ 6.10409078084879e-09 6.177780011211679e-10 -2.141131229734626e-09 ] [ -3.20339100071362e-09 -1.039445737016814e-10 -2.384081769725791e-09 ] [ 4.477309840715779e-10 -1.298372541531574e-09 -3.75446862616707e-10 ] [ -3.763087214934346e-09 1.167583818762549e-09 3.94137006075335e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.726946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724087808537975e-18 } }