{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7395627 -4.4734629 0.2499373 ] [ -0.0835439 -1.9106791 2.6228874 ] [ 1.0011867 -7.5102408 -2.6108439 ] [ 0.4339019 1.6647094 11.4149784 ] [ 1.5100886 3.2661981 -5.5716969 ] [ 0.6762799 1.7757157 3.8929065 ] [ 4.8045377 1.7887013 -5.3817887 ] [ 0.3971119 5.3990583 -4.6163801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.400232314931795e-08 -7.167277731445878e-09 4.004437020250482e-10 ] [ -1.338520844932326e-10 -3.061245409092149e-09 4.202328905893012e-09 ] [ 1.604077937011568e-09 -1.203273232547347e-08 -4.183033091601433e-09 ] [ 6.951874856282046e-10 2.667158503080159e-09 1.82888116700947e-08 ] [ 2.419428670189772e-09 5.233026277835195e-09 -8.926842584910234e-09 ] [ 1.083519853823857e-09 2.845010203166954e-09 6.23712383264672e-09 ] [ 7.6977180401121e-09 2.865815428065424e-09 -8.622576104265235e-09 ] [ 6.362434072633446e-10 8.650245053863762e-09 -7.396256329882582e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -315.67367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.057649780430268e-17 } }