{ "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" [ [ 2.8997699000000003 0.12840990000000002 0.9664697000000002 ] [ -1.1304754000000001 -0.7533933000000003 -0.3786500000000001 ] [ 0.9697762000000002 0.7217608000000001 -0.6321554000000001 ] [ -2.6494429000000004 -0.7639547000000002 0.8706962000000003 ] [ 2.6566497000000004 1.0576308000000003 -1.1210589000000002 ] [ -1.5433794000000005 0.30108930000000006 -1.2142865000000003 ] [ 0.13435320000000003 -0.7644520000000002 -0.20912180000000005 ] [ -1.3372513000000001 0.07290910000000002 1.7181068000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.645943539479555e-09 2.05735339659266e-10 1.54845515805159e-09 ] [ -1.811221256269529e-09 -1.207069131527361e-09 -6.066641774659202e-10 ] [ 1.553752755048265e-09 1.156388279569905e-09 -1.012824602592473e-09 ] [ -4.244875472524553e-09 -1.223990359690278e-09 1.395009095459401e-09 ] [ 4.256422038995335e-09 1.694511341198001e-09 -1.796134360119765e-09 ] [ -2.472766391704333e-09 4.823982372330376e-10 -1.94550144125306e-09 ] [ 2.152575559696666e-10 -1.224787122123802e-09 -3.350500588596136e-10 ] [ -2.142512768994407e-09 1.168132554635693e-10 2.752710546997502e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.774804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.731755458250233e-18 } }