{ "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" [ [ 2.673592 1.767732 1.794498 ] [ 2.791934 4.53061 0.3856556 ] [ 2.184868 4.104179 2.619474 ] [ 3.820974 5.464835 2.237655 ] [ 4.399704 3.304978 2.526424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.673592000000001e-10 1.767732e-10 1.794498e-10 ] [ 2.791934e-10 4.53061e-10 3.856556e-11 ] [ 2.184868e-10 4.104179e-10 2.619474e-10 ] [ 3.820974e-10 5.464835e-10 2.237655e-10 ] [ 4.399704e-10 3.304978e-10 2.526424e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7606098 -3.8823224 -0.557664 ] [ -2.4375877 1.379622 -10.571741 ] [ -15.110001 -3.5590758 6.5180328 ] [ 8.0671072 12.6124495 1.2989027 ] [ 11.2410914 -6.5506732 3.3124694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.820807883151413e-09 -6.220166234934801e-09 -8.93476230422976e-10 ] [ -3.905446056265801e-09 2.210398132152347e-09 -1.693779641089979e-08 ] [ -2.420889054191663e-08 -5.702268085394856e-09 1.044303985180559e-08 ] [ 1.292493065981316e-08 2.020737188640498e-08 2.081071555779512e-09 ] [ 1.801021398173835e-08 -1.049533553801001e-08 5.307161073519999e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5071651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.823451242800273e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7791575 1.9280637 2.0853468 ] [ 1.7836826 4.8968026 -0.2431723 ] [ 2.0259815 4.2940565 2.0647822 ] [ 4.1999983 5.2409904 2.8013871 ] [ 5.0822521 2.8124209 2.8553628 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7791575e-10 1.9280637e-10 2.0853468e-10 ] [ 1.7836826e-10 4.8968026e-10 -2.431723e-11 ] [ 2.0259815e-10 4.2940565e-10 2.0647822e-10 ] [ 4.1999983e-10 5.2409904e-10 2.8013871e-10 ] [ 5.0822521e-10 2.8124209e-10 2.8553628e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.07e-05 6.9e-06 3.6e-06 ] [ 6.5e-06 -6.5e-06 1.93e-05 ] [ 7.3e-06 6e-07 -1.19e-05 ] [ -5.5e-06 2.3e-06 -2.2e-06 ] [ -1.9e-05 -3.4e-06 -8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.71432899838e-14 1.10550187746e-14 5.767835882399999e-15 ] [ 1.0414148121e-14 -1.0414148121e-14 3.09220090362e-14 ] [ 1.16958894282e-14 9.613059803999998e-16 -1.90659019446e-14 ] [ -8.811971486999999e-15 3.685006258199999e-15 -3.5247885948e-15 ] [ -3.0441356046e-14 -5.4474005556e-15 -1.42593720426e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }