{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.29902 4.010969 3.832447 3.702741 3.600807 3.516826 3.44541 3.383284 3.328307 3.279003 3.234308 3.193436 3.155782 3.120877 3.088347 3.057889 3.029255 3.002238 2.976666 2.952392 2.929291 2.907254 2.886188 2.86601 2.852274 2.837817 2.822559 2.806408 2.789251 2.770954 2.751357 2.730258 2.70741 2.682496 2.655104 2.624686 2.590491 2.551445 2.505941 2.45141 2.383362 2.29281 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29902e-10 4.0109690000000004e-10 3.832447e-10 3.702741e-10 3.6008070000000003e-10 3.516826e-10 3.44541e-10 3.383284e-10 3.3283070000000004e-10 3.279003e-10 3.234308e-10 3.193436e-10 3.155782e-10 3.1208770000000005e-10 3.088347e-10 3.057889e-10 3.029255e-10 3.0022380000000005e-10 2.9766659999999997e-10 2.952392e-10 2.929291e-10 2.907254e-10 2.886188e-10 2.8660100000000003e-10 2.852274e-10 2.837817e-10 2.822559e-10 2.8064079999999997e-10 2.7892510000000003e-10 2.7709540000000004e-10 2.751357e-10 2.730258e-10 2.70741e-10 2.682496e-10 2.655104e-10 2.624686e-10 2.590491e-10 2.5514450000000005e-10 2.505941e-10 2.45141e-10 2.383362e-10 2.29281e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.414682 0.959545 1.39542 1.75527 2.05821 2.31916 2.55131 2.76011 2.95146 3.12614 3.28346 3.42372 3.54771 3.65638 3.75076 3.83185 3.9006 3.95787 4.00434 4.04074 4.06791 4.08656 4.09733 4.1008 4.09914 4.09372 4.08373 4.06817 4.04577 4.01486 3.97327 3.91806 3.84526 3.74927 3.62203 3.45156 3.22086 2.90339 2.45305 1.78105 0.6875 -1.40113 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.64393810940388e-20 1.5373605782715298e-19 2.23570931861628e-19 2.81225258036118e-19 3.2976159698651395e-19 3.71570396250744e-19 4.08764926809054e-19 4.42218374926974e-19 4.72876024818564e-19 5.00862846261276e-19 5.26068289067364e-19 5.48540418535848e-19 5.6840580662081395e-19 5.85816660102492e-19 6.009380031741839e-19 6.1393005349929e-19 6.249450178580399e-19 6.34120683440958e-19 6.415659982591559e-19 6.47397921206916e-19 6.51751035121494e-19 6.5473909454390405e-19 6.56464638778722e-19 6.570205940707199e-19 6.56754632749476e-19 6.55886253013848e-19 6.54285678556482e-19 6.51792691713978e-19 6.48203816053818e-19 6.432514880781239e-19 6.36588035457318e-19 6.277424182610039e-19 6.16078572365484e-19 6.00699278855718e-19 5.80313183364702e-19 5.53000878284904e-19 5.16038663338524e-19 4.65174361738926e-19 3.9302193920337e-19 2.8535566939857e-19 1.101496435875e-19 -2.2448577471964196e-19 ] } }