{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3225109 1.6165913 3.7262947 ] [ 1.3206301 1.4766355 -1.1783721 ] [ -2.2830049 -0.5101883 -2.1489778 ] [ 5.4320598 -15.5334745 -5.2148438 ] [ -0.6766037 -2.710084 1.6139578 ] [ -4.688053 17.5579452 3.1017849 ] [ -0.427539 -1.8974252 0.1001563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.11889606219031e-09 2.590064807587684e-09 5.970182299738039e-09 ] [ 2.115882688377083e-09 2.365830895034906e-09 -1.887960244777511e-09 ] [ -3.657777106087506e-09 -8.174117732001822e-10 -3.443042018144724e-09 ] [ 8.703119286050713e-09 -2.488736988873483e-08 -8.355100886319768e-09 ] [ -1.084038638617946e-09 -4.342033260977256e-09 2.585845475422045e-09 ] [ -7.5110889755536e-09 2.813092954049245e-08 4.969607290474026e-09 ] [ -6.84992995923726e-10 -3.040010320202777e-09 1.604680836078942e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.323742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.057310771784442e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.895323 1.7228658 1.0107239 ] [ 3.1800929 0.9282236 2.7742278 ] [ 2.124541 3.1462745 2.9239382 ] [ 5.0447155 2.2253939 2.0787641 ] [ 4.0548962 2.5027221 4.2449119 ] [ 4.2329151 4.3442694 2.8534922 ] [ 3.4251463 3.4631576 0.8589016 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.895323e-10 1.7228658e-10 1.0107239e-10 ] [ 3.1800929e-10 9.282236e-11 2.7742278e-10 ] [ 2.124541e-10 3.1462745e-10 2.9239382e-10 ] [ 5.0447155e-10 2.2253939e-10 2.0787641e-10 ] [ 4.0548962e-10 2.5027221e-10 4.2449119e-10 ] [ 4.2329151e-10 4.3442694e-10 2.8534922e-10 ] [ 3.4251463e-10 3.4631576e-10 8.589016e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.69e-05 -7.1e-06 1.79e-05 ] [ 3.48e-05 1.89e-05 -1e-05 ] [ 4.05e-05 -1.6e-05 -2.14e-05 ] [ -7.01e-05 1.4e-06 4.5e-06 ] [ -1.36e-05 9.9e-06 -1.04e-05 ] [ -7.4e-06 -1.72e-05 -2.8e-06 ] [ 3.27e-05 1.01e-05 2.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.70767851146e-14 -1.13754541014e-14 2.86789617486e-14 ] [ 5.575574686319999e-14 3.02811383826e-14 -1.602176634e-14 ] [ 6.4888153677e-14 -2.5634826144e-14 -3.42865799676e-14 ] [ -1.123125820434e-13 2.2430472876e-15 7.209794853e-15 ] [ -2.17896022224e-14 1.58615486766e-14 -1.66626369936e-14 ] [ -1.18561070916e-14 -2.75574381048e-14 -4.486094575199999e-15 ] [ 5.23911759318e-14 1.61819840034e-14 3.54081036114e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }