{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7324167 0.5635954 -0.3110446 ] [ 0.5454115 3.940413 0.8192493 ] [ -0.8523384 -0.6677967 -2.8188273 ] [ 2.1655841 -2.7172705 1.006134 ] [ -4.5476808 -0.1069948 2.677465 ] [ 1.956607 -1.0119463 -1.3729765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.173460913423487e-09 9.029793734704244e-10 -4.983483861460877e-10 ] [ 8.738455540154593e-10 6.313237584896391e-09 1.312582075066765e-09 ] [ -1.365596657490079e-09 -1.069928260187391e-09 -4.516259198132788e-09 ] [ 3.469648215396209e-09 -4.353547267489527e-09 1.612004372191988e-09 ] [ -7.286187856621041e-09 -1.714245671071718e-10 4.289771826010272e-09 ] [ 3.134829991493625e-09 -1.621316703365063e-09 -2.199750849207811e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.100729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.701144792723657e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2496915 1.5699593 1.0093067 ] [ 3.0008925 0.403327 2.3222619 ] [ 1.5803792 2.1248632 3.4039501 ] [ 2.2253161 3.7577973 1.6520444 ] [ 3.6458298 2.0362625 0.5703578 ] [ 3.9765169 2.5911646 2.965002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2496915e-10 1.5699593e-10 1.0093067e-10 ] [ 3.0008925e-10 4.03327e-11 2.3222619e-10 ] [ 1.5803792e-10 2.1248632e-10 3.4039501e-10 ] [ 2.2253161e-10 3.7577973e-10 1.6520444e-10 ] [ 3.6458298e-10 2.0362625e-10 5.703578e-11 ] [ 3.9765169e-10 2.5911646e-10 2.965002e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 3.9e-06 0.0 ] [ -9e-07 6.7e-06 2.8e-06 ] [ 3.2e-06 -2.8e-06 -5.9e-06 ] [ 1.5e-06 -4.9e-06 5.2e-06 ] [ -4.9e-06 -3e-06 4.1e-06 ] [ -4.5e-06 1e-07 -6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 6.24848882112e-15 0.0 ] [ -1.44195895872e-15 1.073458335936e-14 4.48609453824e-15 ] [ 5.126965186560001e-15 -4.48609453824e-15 -9.45284206272e-15 ] [ 2.4032649312e-15 -7.850665441919999e-15 8.33131842816e-15 ] [ -7.850665441919999e-15 -4.8065298624e-15 6.568924145279999e-15 ] [ -7.2097947936e-15 1.6021766208e-16 -1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -27.549081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.413849350272549e-18 } }