{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4148571 -0.1885454 0.1529951 ] [ -0.8680463 1.6883833 1.6170566 ] [ 0.19591 1.7759684 -0.5427497 ] [ -0.1672869 1.2777196 -1.0259768 ] [ 0.2310484 -2.170381 0.2651556 ] [ -0.5254872 -3.14922 -0.4317943 ] [ -1.2809952 0.7660752 -0.0346865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.869027588192888e-09 -3.020830318393843e-10 2.451251723169581e-10 ] [ -1.390763487631943e-09 2.705088250209153e-09 2.590810279030337e-09 ] [ 3.13882421780928e-10 2.845415049759583e-09 -8.695808802862138e-10 ] [ -2.680231601461075e-10 2.047132471057928e-09 -1.643796042443198e-09 ] [ 3.701803447532467e-10 -3.477333696428525e-09 4.248261031941965e-10 ] [ -8.419233063696538e-10 -5.045606657755777e-09 -6.918107324547015e-10 ] [ -2.05238056079702e-09 1.227387775214684e-09 -5.557389935737921e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -29.555095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.735248223452298e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6779076 1.4999513 2.5444137 ] [ 1.872532 2.873996 4.2464009 ] [ 2.4551624 3.9164469 2.0843429 ] [ 4.7247791 2.4343147 2.0211421 ] [ 4.1526861 1.9604777 4.4666428 ] [ 4.59232 4.7875643 2.3923621 ] [ 3.5473027 4.4431961 4.5095565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6779076e-10 1.4999513e-10 2.5444137e-10 ] [ 1.872532e-10 2.873996e-10 4.2464009e-10 ] [ 2.4551624e-10 3.9164469e-10 2.0843429e-10 ] [ 4.7247791e-10 2.4343147e-10 2.0211421e-10 ] [ 4.152686100000001e-10 1.9604777e-10 4.4666428e-10 ] [ 4.59232e-10 4.7875643e-10 2.3923621e-10 ] [ 3.5473027e-10 4.4431961e-10 4.509556500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -2.25e-05 -7.19e-05 ] [ 1.79e-05 -3.97e-05 4.99e-05 ] [ -5.93e-05 4.7e-06 -8.07e-05 ] [ 1.57e-05 -1.13e-05 1.03e-05 ] [ -2.9e-05 -4.94e-05 4.29e-05 ] [ -1.58e-05 6.3e-06 3.22e-05 ] [ 7.26e-05 0.0001118 1.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 -3.604897396800001e-14 -1.1519649903552e-13 ] [ 2.867896151232001e-14 -6.360641184576e-14 7.994861337792e-14 ] [ -9.500907361344e-14 7.53023011776e-15 -1.2929565329856e-13 ] [ 2.515417294656e-14 -1.810459581504e-14 1.650241919424e-14 ] [ -4.64631220032e-14 -7.914752506752001e-14 6.873337703232e-14 ] [ -2.531439060864e-14 1.009371271104e-14 5.159008718975999e-14 ] [ 1.1631802267008e-13 1.7912334620544e-13 2.771765553984e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }