{ "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" [ [ 4.251188800000001 0.33468990000000004 1.4315152000000002 ] [ -1.6929765000000006 -1.0758997000000001 -0.6685833000000001 ] [ 1.4222847000000003 0.9887986000000002 -0.7837285000000003 ] [ -3.593975500000001 -1.0806493000000001 1.1291335000000002 ] [ 3.6348122000000007 1.3858455000000003 -1.5291157000000004 ] [ -2.3659663000000006 0.3957166000000001 -1.6711441000000005 ] [ 0.24297840000000007 -1.0517267000000001 -0.32782680000000003 ] [ -1.8983458000000004 0.10322500000000003 2.4197497000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.81115530596681e-09 5.3623233299789e-10 2.293540185759837e-09 ] [ -2.712447367863812e-09 -1.723781345665734e-09 -1.071188532317313e-09 ] [ 2.278751294461542e-09 1.584229999599771e-09 -1.255671479754653e-09 ] [ -5.758183521827992e-09 -1.731391043743886e-09 1.809071295462077e-09 ] [ 5.823611127838614e-09 2.220369260140887e-09 -2.449913425038227e-09 ] [ -3.79069589146068e-09 6.340078849824654e-10 -2.677468007007858e-09 ] [ 3.892943118393908e-10 -1.685051930211136e-09 -5.252364346316775e-10 ] [ -3.041485258953874e-09 1.6538468168208e-10 3.876866397527815e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.204186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.319897052189467e-18 } }