{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.101953 -2.5518147 -0.3233963 ] [ -1.3163614 1.7881455 1.247664 ] [ -0.7082768 -0.7933888 0.5138387 ] [ 1.8525523 -1.0088501 -0.5285754 ] [ 1.48803 -2.0743502 -0.3293722 ] [ 0.8564353 -0.2692057 -3.3512233 ] [ 0.9295737 4.9094639 2.7710644 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.969876616366201e-09 -4.08845788663772e-09 -5.181379953820542e-10 ] [ -2.109043476979527e-09 2.864924938292246e-09 1.998978107882976e-09 ] [ -1.134784539364291e-09 -1.271148997037299e-09 8.232603587849357e-10 ] [ 2.968116008322958e-09 -1.616356057428563e-09 -8.468711551872036e-10 ] [ 2.384086896691019e-09 -3.323475421173226e-09 -5.277124427291747e-10 ] [ 1.37216062619278e-09 -4.313150822796138e-10 -5.369251666576372e-09 ] [ 1.489341261720926e-09 7.865828346046512e-09 4.43973463298923e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.952927005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.876376016054514e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8427405 1.332853 2.6789167 ] [ 2.234333 3.1718343 4.1767186 ] [ 1.4547333 3.5658639 1.9371497 ] [ 4.0362797 1.5529029 2.0388493 ] [ 4.4685851 2.2848678 4.1712262 ] [ 3.6639898 3.6954976 1.3271548 ] [ 4.0805436 4.5178855 3.4294997 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8427405e-10 1.332853e-10 2.6789167e-10 ] [ 2.234333e-10 3.1718343e-10 4.1767186e-10 ] [ 1.4547333e-10 3.5658639e-10 1.9371497e-10 ] [ 4.0362797e-10 1.5529029e-10 2.0388493e-10 ] [ 4.4685851e-10 2.2848678e-10 4.1712262e-10 ] [ 3.6639898e-10 3.6954976e-10 1.3271548e-10 ] [ 4.0805436e-10 4.517885500000001e-10 3.4294997e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.71e-05 -1.01e-05 -7.9e-06 ] [ 4.7e-06 1.36e-05 -2.52e-05 ] [ 1.3e-05 -1.41e-05 1.65e-05 ] [ -2.58e-05 1.78e-05 -1.17e-05 ] [ -1.22e-05 -7.3e-06 5.71e-05 ] [ -3.39e-05 1.03e-05 -4.44e-05 ] [ 2.7e-05 -1.02e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.34189867814e-14 -1.61819840034e-14 -1.26571954086e-14 ] [ 7.530230179799999e-15 2.17896022224e-14 -4.037485117679999e-14 ] [ 2.082829624199999e-14 -2.25906905394e-14 2.6435914461e-14 ] [ -4.133615715719999e-14 2.851874408519999e-14 -1.87454666178e-14 ] [ -1.95465549348e-14 -1.16958894282e-14 9.148428580139999e-14 ] [ -5.431378789259999e-14 1.65024193302e-14 -7.11366425496e-14 ] [ 4.325876911799999e-14 -1.63422016668e-14 2.4833737827e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }