{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6817198 1.056578 -1.3834912 ] [ 1.3088513 -0.4904842 -0.1927129 ] [ -0.134792 1.8227037 1.2017728 ] [ -0.7187069 -2.3013733 0.4859053 ] [ 0.9828417 -0.3580689 -0.8837237 ] [ -0.4783648 -0.1384131 0.414574 ] [ -0.2781095 0.4090577 0.3576757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.092235534495153e-09 1.692824583598452e-09 -2.21659727398462e-09 ] [ 2.097010970240524e-09 -7.858423245861827e-10 -3.087601054503786e-10 ] [ -2.15960592850128e-10 2.920293278845346e-09 1.925452299536755e-09 ] [ -1.151495401874574e-09 -3.687206527371471e-09 7.785061179967601e-10 ] [ 1.574686006660838e-09 -5.736896249420826e-10 -1.415881463052026e-09 ] [ -7.664249050880831e-10 -2.217622346595054e-10 6.64220775863916e-10 ] [ -4.45580542593423e-10 6.553826888977818e-10 5.730596490895937e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.172600005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.911571510826582e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5759347 3.8530281 2.8831298 ] [ 5.8194453 2.2721938 1.2409037 ] [ 3.6672275 1.4085405 1.1700664 ] [ 3.2192126 1.6840143 3.4561293 ] [ 5.3638248 2.5960461 3.5809615 ] [ 4.7673277 4.3082928 1.9983121 ] [ 3.0064324 3.5405047 0.5367841 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5759347e-10 3.8530281e-10 2.8831298e-10 ] [ 5.8194453e-10 2.2721938e-10 1.2409037e-10 ] [ 3.6672275e-10 1.4085405e-10 1.1700664e-10 ] [ 3.2192126e-10 1.6840143e-10 3.4561293e-10 ] [ 5.363824799999999e-10 2.5960461e-10 3.5809615e-10 ] [ 4.7673277e-10 4.3082928e-10 1.9983121e-10 ] [ 3.0064324e-10 3.5405047e-10 5.367841e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 4e-07 1.43e-05 ] [ -8.5e-06 2.48e-05 -7.4e-06 ] [ -8.7e-06 1.42e-05 -8.3e-06 ] [ -2.25e-05 -1.63e-05 1.51e-05 ] [ 6.7e-06 1.64e-05 3.1e-06 ] [ -7e-07 -2.75e-05 -1.45e-05 ] [ 2.92e-05 -1.19e-05 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.209794853e-15 6.408706536e-16 2.29111258662e-14 ] [ -1.3618501389e-14 3.97339805232e-14 -1.18561070916e-14 ] [ -1.39389367158e-14 2.27509082028e-14 -1.32980660622e-14 ] [ -3.6048974265e-14 -2.61154791342e-14 2.41928671734e-14 ] [ 1.07345834478e-14 2.62756967976e-14 4.9667475654e-15 ] [ -1.1215236438e-15 -4.4059857435e-14 -2.3231561193e-14 ] [ 4.67835577128e-14 -1.90659019446e-14 -3.685006258199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }