{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4073573 0.6258459 1.7877182 ] [ -2.0777584 0.0938165 -3.1708542 ] [ -6.1061864 5.8586041 2.013745 ] [ -0.0784949 -4.6858408 1.0938378 ] [ 4.8550824 -1.8924257 -1.7244469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.459188204772212e-09 1.002715669203535e-09 2.864240304618659e-09 ] [ -3.328935932150815e-09 1.503106029452832e-10 -5.080268467205487e-09 ] [ -9.783189092326918e-09 9.386518519543024e-09 3.226375159252896e-09 ] [ -1.257626936320339e-10 -7.507544578550769e-09 1.752521350107306e-09 ] [ 7.778699513337554e-09 -3.032000213141075e-09 -2.762868506991036e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.730931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.161243635481797e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5340623 2.6885218 1.1215735 ] [ 2.9667837 3.2801014 3.1797387 ] [ 4.8080628 2.0841543 2.8302218 ] [ 4.7286316 4.2136013 2.1962606 ] [ 4.8015896 3.6967163 4.3492404 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5340623e-10 2.688521800000001e-10 1.1215735e-10 ] [ 2.9667837e-10 3.2801014e-10 3.1797387e-10 ] [ 4.8080628e-10 2.0841543e-10 2.8302218e-10 ] [ 4.7286316e-10 4.2136013e-10 2.1962606e-10 ] [ 4.8015896e-10 3.6967163e-10 4.3492404e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.85e-05 9.7e-06 4.03e-05 ] [ -2.08e-05 -4.6e-06 1.7e-06 ] [ -6e-07 -3.2e-06 -7.5e-06 ] [ 8.8e-06 6.8e-06 -1.27e-05 ] [ -5.8e-06 -8.7e-06 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.96402674848e-14 1.554111322176e-14 6.456771781824e-14 ] [ -3.332527371264e-14 -7.370012455680001e-15 2.72370025536e-15 ] [ -9.6130597248e-16 -5.126965186560001e-15 -1.2016324656e-14 ] [ 1.409915426304e-14 1.089480102144e-14 -2.034764308416e-14 ] [ -9.292624400640001e-15 -1.393893660096e-14 -3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }