{ "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" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5503625 -14.978449 -1.1375674 ] [ -6.7301887 6.6181934 -6.1258135 ] [ -10.3100145 4.379129 3.7808551 ] [ 8.4467727 -0.2019447 -0.470323 ] [ 9.143793 4.1830713 3.9528487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.817779304650399e-10 -2.399812080364514e-08 -1.822583892864242e-09 ] [ -1.078295098871235e-08 1.060351473741286e-08 -9.81463517308102e-09 ] [ -1.6518464192009e-08 7.016138103267283e-09 6.057597647852447e-09 ] [ 1.353322174115169e-08 -3.235510770344698e-10 -7.535405148245184e-10 ] [ 1.46499713700347e-08 6.702019039999463e-09 6.333161772699673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1929995 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.32010239072609e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0659953 0.001837 1.4336409 ] [ 0.2989922 2.06413 0.0437364 ] [ -0.1085631 2.0500289 2.5283965 ] [ 2.7597204 1.7129036 0.4453507 ] [ 2.3521711 1.6988325 2.9300129 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0659953e-10 1.837e-13 1.4336409e-10 ] [ 2.989922e-11 2.06413e-10 4.37364e-12 ] [ -1.085631e-11 2.0500289e-10 2.5283965e-10 ] [ 2.7597204e-10 1.7129036e-10 4.453507e-11 ] [ 2.3521711e-10 1.6988325e-10 2.9300129e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 1.69e-05 -7.9e-06 ] [ 5.3e-06 -1.41e-05 4.1e-06 ] [ 2.29e-05 -1.5e-06 -3.2e-06 ] [ -1.49e-05 8e-07 1.03e-05 ] [ -1.25e-05 -2.2e-06 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 2.707678489152e-14 -1.265719530432e-14 ] [ 8.491536090240001e-15 -2.259069035328e-14 6.568924145279999e-15 ] [ 3.668984461632e-14 -2.4032649312e-15 -5.126965186560001e-15 ] [ -2.387243164992e-14 1.28174129664e-15 1.650241919424e-14 ] [ -2.002720776e-14 -3.52478856576e-15 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.126158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423477671012689e-18 } }