{ "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" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.4804082 -21.427001 23.5632923 ] [ -16.2127417 25.087629 -22.5648052 ] [ -5.6255077 1.8093176 -34.4254256 ] [ 0.0856006 -39.4815038 15.3635646 ] [ 38.2187785 11.370835 -11.6503359 ] [ -2.9857215 22.6407231 29.7137099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.159799485688061e-08 -3.432984005605822e-08 3.775255603213666e-08 ] [ -2.597567571080925e-08 4.019481265510409e-08 -3.615280334434626e-08 ] [ -9.013056917070382e-09 2.898846358321966e-09 -5.515561205740981e-08 ] [ 1.371472800464525e-10 -6.325634234238636e-08 2.461514401427051e-08 ] [ 6.123323338823369e-08 1.821808599597437e-08 -1.866589580344693e-08 ] [ -4.783653183519906e-09 3.62744372288265e-08 4.760661131901351e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.849016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.821033586428513e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5231696 0.895553 3.0143366 ] [ 0.317647 2.6185182 1.1986579 ] [ 1.8750843 1.2778936 -0.1264205 ] [ 2.2854568 -0.2839634 1.7970458 ] [ 3.64262 1.8174641 1.5742437 ] [ 2.0127475 2.9175637 3.0275254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231696e-11 8.955530000000001e-11 3.0143366e-10 ] [ 3.17647e-11 2.6185182e-10 1.1986579e-10 ] [ 1.8750843e-10 1.2778936e-10 -1.264205e-11 ] [ 2.2854568e-10 -2.839634e-11 1.7970458e-10 ] [ 3.64262e-10 1.8174641e-10 1.5742437e-10 ] [ 2.0127475e-10 2.9175637e-10 3.0275254e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 -1.56e-05 2.5e-05 ] [ -2.33e-05 1.07e-05 -8.8e-06 ] [ 3.62e-05 2.98e-05 -2.11e-05 ] [ -1.26e-05 -4.05e-05 2.9e-05 ] [ -1.06e-05 1.57e-05 -1.78e-05 ] [ 1.82e-05 -2e-07 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 -2.499395528448e-14 4.005441552e-14 ] [ -3.733071526464e-14 1.714328984256e-14 -1.409915426304e-14 ] [ 5.799879367296e-14 4.774486329984001e-14 -3.380592669888e-14 ] [ -2.018742542208e-14 -6.488815314240001e-14 4.64631220032e-14 ] [ -1.698307218048e-14 2.515417294656e-14 -2.851874385024e-14 ] [ 2.915961449856e-14 -3.2043532416e-16 -9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.593993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.338215438871885e-18 } }